4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carbaldehyde

C9H10N2O2 — CID 105437415

IUPAC4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carbaldehyde
SMILESCOc1nc(C=O)nc2c1CCC2
InChIInChI=1S/C9H10N2O2/c1-13-9-6-3-2-4-7(6)10-8(5-12)11-9/h5H,2-4H2,1H3
InChIKeyWHQDPGRCNWGSAE-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.79
Rot. Bonds2

About 4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carbaldehyde

4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carbaldehyde (PubChem CID 105437415) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carbaldehyde
PubChem CID105437415
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carbaldehyde
SMILESCOc1nc(C=O)nc2c1CCC2
InChIInChI=1S/C9H10N2O2/c1-13-9-6-3-2-4-7(6)10-8(5-12)11-9/h5H,2-4H2,1H3
InChIKeyWHQDPGRCNWGSAE-UHFFFAOYSA-N
XLogP0.79
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

7,7-Difluoro-2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidine
CID 156555746
2-methyl-4-(2,2,2-trifluoroethoxy)-5H,6H,7H-cyclopenta[d]pyrimidine
CID 126954711
4-(2,2-difluoroethoxy)-2-methyl-5H,6H,7H-cyclopenta[d]pyrimidine
CID 126954712
4-Ethyl-2,6-dimethoxy-5-propan-2-ylpyrimidine
CID 10656072
5-Butyl-4-ethoxy-2,6-dimethylpyrimidine
CID 15425429
4-Methoxy-6,7-dihydro-5h-cyclopenta[d]pyrimidin-2-amine
CID 230744
4-ethoxy-6,7-dihydro-5H-cyclopentapyrimidin-2-ylamine
CID 12290586
2-chloro-4-ethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 12933869
4-Methoxy-2-methylthio-6,7-dihydro-5H-cyclopentapyrimidine
CID 19353471
6,7-dihydro-2-isothiocyanato-4-methoxy-5H-cyclopentapyrimidine
CID 20532140
2,4-dimethoxy-7-pentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 66709560
4-methoxy-2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 70578967

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carbaldehyde?
The IUPAC name of 4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carbaldehyde (CID 105437415) is 4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carbaldehyde.
What is the SMILES notation for 4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carbaldehyde?
The canonical SMILES for 4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carbaldehyde is COc1nc(C=O)nc2c1CCC2.
What is the InChIKey of 4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carbaldehyde?
The InChIKey is WHQDPGRCNWGSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-13-9-6-3-2-4-7(6)10-8(5-12)11-9/h5H,2-4H2,1H3.
What are the key properties of 4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carbaldehyde?
4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carbaldehyde has a molecular weight of 178.19 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carbaldehyde is sourced from PubChem (CID 105437415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).